Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA2 | P00918 | 4/20 | 0.46 |
| ▸ | CA5A | P35218 | 3/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Nitrobenzene SCHEMBL28319780 | 0.81 | KEAP1 (0.51) | CA1CA2CA5ACA5BKDR | |
| SCHEMBL1908790 | 0.77 | MIF (0.50) | P2RX7CA1CA2CA5ACA5B | |
| SCHEMBL16220810 | 0.76 | CA1 (0.68) | P2RX7CA1CA2CA5ACA5B | |
| SCHEMBL12420382 | 0.76 | FLT3 (0.49) | P2RX7CA1CA2CA5ACA5B | |
| SCHEMBL27984092 | 0.76 | CA12 (0.53) | P2RX7CA1CA2CA5ACA5B | |
| SCHEMBL4549459 | 0.75 | P2RX7 (0.58) | P2RX7CA1CA2CA5ACA5B | |
| SCHEMBL1646903 | 0.75 | CYP19A1 (0.59) | KDRPTGS2PIK3CAALDH1A1KMT2A | |
| SCHEMBL2819653 | 0.74 | P2RX7 (1.00) | P2RX7CA1CA2CA5ACA5B | |
| SCHEMBL1119554 | 0.72 | PTGS2 (0.66) | P2RX7CA1CA2CA5ACA5B | |
| SCHEMBL28335289 | 0.72 | CA2 (0.61) | P2RX7CA1CA2CA5ACA5B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111153889-B | 2-indolone-triazole anti-tumor compound and preparation method and application thereof | 中国医科大学 | 2022-05-20 | — | — | CN | disclosed |